Ho6CuS5
Alexandria ALEXAlex-ID: agm006123774 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Ho6CuS5
2023-09-09 08:08:56.924066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123774).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006123774
data_agm006123774
_cell_length_a 6.77405
_cell_length_b 6.77405
_cell_length_c 6.76130
_cell_angle_alpha 99.65402
_cell_angle_beta 99.65403
_cell_angle_gamma 120.02806
_cell_volume 253.04535
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
S1 S 0.82994 0.17006 0.50000 1.00000
S2 S 0.66543 0.33457 0.00000 1.00000
S3 S 0.50000 0.50000 0.50000 1.00000
S4 S 0.33457 0.66543 1.00000 1.00000
S5 S 0.17006 0.82994 0.50000 1.00000
Ho1 Ho 0.41439 0.08155 0.24757 1.00000
Ho2 Ho 0.91845 0.58561 0.75243 1.00000
Ho3 Ho 0.24868 0.24868 0.75036 1.00000
Ho4 Ho 0.75132 0.75132 0.24964 1.00000
Ho5 Ho 0.08155 0.41439 0.24757 1.00000
Ho6 Ho 0.58561 0.91845 0.75243 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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